LAMMPS (19 Sep 2019)
  using 1 OpenMP thread(s) per MPI task
# GJF-2GJ thermostat

units   	metal
atom_style      full

boundary 	p p p
read_data argon.lmp
  orthogonal box = (0 0 0) to (32.146 32.146 32.146)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  864 atoms
  0 = max # of 1-2 neighbors
  0 = max # of 1-3 neighbors
  0 = max # of 1-4 neighbors
  1 = max # of special neighbors
  special bonds CPU = 0.000147804 secs
  read_data CPU = 0.00194898 secs

include ff-argon.lmp
#############################
#Atoms types - mass - charge#
#############################
#@ 1 atom types #!THIS LINE IS NECESSARY DON'T SPEND HOURS FINDING THAT OUT!#

variable Ar equal 1

#############
#Atom Masses#
#############

mass ${Ar}      39.903
mass 1      39.903

###########################
#Pair Potentials - Tersoff#
###########################

pair_style      lj/cubic
pair_coeff      * * 0.0102701 3.42


velocity all create 10 2357 mom yes dist gaussian

neighbor 1 bin

timestep 0.1

fix lang all langevin 10 10 1 26488 gjf vhalf
fix nve all nve

thermo 200
run 5000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.94072
  ghost atom cutoff = 6.94072
  binsize = 3.47036, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cubic, perpetual
      attributes: half, newton on
      pair build: half/bin/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.5 | 6.5 | 6.5 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0    11.080223   -56.207655            0    -54.97164    37.215524 
     200    9.8808568   -55.073602            0   -53.971378    345.62207 
     400    9.8712816   -55.072244            0   -53.971088    345.11889 
     600    10.528988   -55.066739            0   -53.892214    350.60093 
     800    10.167171   -55.148315            0   -54.014152    324.73679 
    1000    10.029026   -55.125709            0   -54.006956    331.93766 
    1200    10.194424   -55.114892            0   -53.977688    334.36032 
    1400    9.3473846   -55.109233            0   -54.066518    333.64378 
    1600    9.7774071   -55.138161            0   -54.047477    327.02358 
    1800    9.9814275    -55.13355            0   -54.020107    328.30017 
    2000      10.2515   -55.062994            0   -53.919424    349.74304 
    2200    9.8126922    -55.13364            0   -54.039019    328.78521 
    2400    10.044314   -55.163702            0   -54.043244    321.03397 
    2600    10.543316   -55.112054            0   -53.935932    336.82099 
    2800    9.7874375   -55.147275            0   -54.055472    324.06626 
    3000    9.7703821   -55.135164            0   -54.045263    328.60665 
    3200    10.141958   -55.135753            0   -54.004402    327.69084 
    3400    10.160576   -55.135408            0    -54.00198    329.39063 
    3600    10.044652   -55.103932            0   -53.983436    336.64469 
    3800    10.662403   -55.103648            0   -53.914241    339.56382 
    4000    9.2921047   -55.120402            0   -54.083853    329.71671 
    4200    9.8744553   -55.129011            0   -54.027501    329.78147 
    4400    9.4085964   -55.153089            0   -54.103546    320.90673 
    4600    9.5463801   -55.124053            0    -54.05914    330.80941 
    4800    10.223884   -55.075877            0   -53.935387    344.30099 
    5000    9.6243338   -55.158604            0   -54.084996     320.3511 
Loop time of 2.29551 on 1 procs for 5000 steps with 864 atoms

Performance: 18819.358 ns/day, 0.001 hours/ns, 2178.166 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.4393     | 1.4393     | 1.4393     |   0.0 | 62.70
Bond    | 0.0004441  | 0.0004441  | 0.0004441  |   0.0 |  0.02
Neigh   | 0.12136    | 0.12136    | 0.12136    |   0.0 |  5.29
Comm    | 0.059342   | 0.059342   | 0.059342   |   0.0 |  2.59
Output  | 0.00046968 | 0.00046968 | 0.00046968 |   0.0 |  0.02
Modify  | 0.64937    | 0.64937    | 0.64937    |   0.0 | 28.29
Other   |            | 0.02522    |            |       |  1.10

Nlocal:    864 ave 864 max 864 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    1593 ave 1593 max 1593 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    18143 ave 18143 max 18143 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 18143
Ave neighs/atom = 20.9988
Ave special neighs/atom = 0
Neighbor list builds = 158
Dangerous builds = 5


Total wall time: 0:00:02
